5-(3-Chloro-phenyl)-2-methyl-thiazole-4-carboxylic acid → N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide

반응식

[CH:1]12[CH:2]([CH2:7][NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[NH:3][CH2:4][CH:5]1[CH2:6]2.[Cl:15][c:16]1[cH:17][c:18](-[c:22]2[c:23]([C:28](=[O:29])[OH:30])[n:24][c:25]([CH3:27])[s:26]2)[cH:19][cH:20][cH:21]1>>[CH:1]12[CH:2]([CH2:7][NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[N:3]([C:28]([c:23]3[c:22](-[c:18]4[cH:17][c:16]([Cl:15])[cH:21][cH:20][cH:19]4)[s:26][c:25]([CH3:27])[n:24]3)=[O:29])[CH2:4][CH:5]1[CH2:6]2

참가 물질

반응물 2

HCID 532711925-(3-Chloro-phenyl)-2-methyl-thiazole-4-carboxylic acid

HCID 76542722N-(3-azabicyclo[3.1.0]hexan-2-ylmethyl)-2,2,2-trifluoroacetamide

생성물 1

HCID 76542725N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide

출처 및 근거

ORD 기록: ord-ac618fe895cd43af90f31f3dbab7a6a9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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